SCHEMBL17709043

SCHEMBL17709043

CON=C1CC2(CCN(C(=O)C(C)(C)CO)CC2)Oc2cc(OC)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.47
CNR2 P34972 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
ALDH1A1 P00352 9/20 0.39
KDM4E B2RXH2 7/20 0.39
GAA P10253 5/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
GLA P06280 5/20 0.38
HPGD P15428 4/20 0.38
CASP1 P29466 3/20 0.38
HSD17B10 Q99714 3/20 0.38
CASP7 P55210 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 1/20 0.38
LMNA P02545 1/20 0.37
CRHBP P24387 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17709041 1.00 CYP19A1 (0.47) CYP19A1CNR2GPR55ALDH1A1KDM4E
SCHEMBL17709147 0.88 CYP19A1 (0.60) CYP19A1ALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL17709170 0.76 CYP19A1 (0.40) CYP19A1CNR2GPR55ALDH1A1KDM4E
SCHEMBL17709166 0.72 ALDH1A1 (0.40) CYP19A1ALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL17709167 0.72 ALDH1A1 (0.40) CYP19A1ALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL4256584 0.71 CYP19A1 (0.59) CYP19A1ALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL619822 0.68 KDM4E (0.43) CYP19A1ALDH1A1KDM4ESMN1; SMN2CA1
SCHEMBL619821 0.68 KDM4E (0.43) CYP19A1ALDH1A1KDM4ESMN1; SMN2CA1
SCHEMBL22446360 0.68 CYP19A1 (0.60) CYP19A1ALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL4273605 0.68 CYP19A1 (0.59) CYP19A1ALDH1A1KDM4EGAASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3212189-B1 SUBSTITUTED CHROMANES AND METHOD OF USE ABBVIE OVERSEAS SÀ RL (LU) 2020-09-09 EP disclosed
US-20190127356-A1 Substituted Chromanes and Method of Use ABBVIE OVERSEAS S.Á.R.L. (LU) 2019-05-02 US disclosed
EP-3212189-A1 SUBSTITUTED CHROMANES AND METHOD OF USE AbbVie S.À.R.L. (LU) 2017-09-06 EP disclosed
US-20170190693-A1 SUBSTITUTED CHROMANES AND METHOD OF USE ABBVIE S À R L (LU) 2017-07-06 US disclosed
US-9642831-B2 Substituted chromanes and method of use ABBVIE S.Á.R.L. (LU) 2017-05-09 US disclosed
WO-2016069757-A1 SUBSTITUTED CHROMANES AND METHOD OF USE ABBVIE INC. (US) 2016-05-06 WO disclosed
US-20160120841-A1 SUBSTITUTED CHROMANES AND METHOD OF USE ABBVIE GLOBAL LIMITED (BM) 2016-05-05 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170190693-A1 SUBSTITUTED CHROMANES AND METHOD OF USE CFTR, CHRM3, CHRM2 CYP19A1 994/4885CNR2 567/4885GPR55 952/4885
US-20160120841-A1 SUBSTITUTED CHROMANES AND METHOD OF USE CFTR, CHRM3, CHRM2 CYP19A1 994/4885CNR2 567/4885GPR55 952/4885
US-20190127356-A1 Substituted Chromanes and Method of Use CFTR, CHRM3, CHRM2 CYP19A1 994/4885CNR2 567/4885GPR55 952/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.